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721968-33-8 | Benzenepropanoic acid, 3-methoxy-4-(2-propynyloxy)-, 2-propynyl ester
CAS No: 721968-33-8 Catalog No: AG005JG8 MDL No:
Product Description
Catalog Number:
AG005JG8
Chemical Name:
Benzenepropanoic acid, 3-methoxy-4-(2-propynyloxy)-, 2-propynyl ester
CAS Number:
721968-33-8
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
prop-2-ynyl 3-(3-methoxy-4-prop-2-ynoxyphenyl)propanoate
InChI:
InChI=1S/C16H16O4/c1-4-10-19-14-8-6-13(12-15(14)18-3)7-9-16(17)20-11-5-2/h1-2,6,8,12H,7,9-11H2,3H3
InChI Key:
VXLUVSMVLXOVQK-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)CCc1ccc(c(c1)OC)OCC#C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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